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ABSTRACT

Schor et al. 1979

Schor, H., S. Chapman, S. Green, and R.N. Zare, 1979: Dynamics of the collinear Be + FH → BeF + H reaction. J. Phys. Chem., 83, 920-922, doi:10.1021/j100471a007.

Results of a study of the collinear reaction Be + FH(ν1) → BeF(ν1) + H are summarized. The surface was obtained by an ab initio first-order wave function CI calculation. Dynamics were studied using quasi-classical trajectories. A comparison study was made using a LEPS surface with similar characteristics. The ab initio surface was found to give rise to quite special results. Because of interest in the analogous Ba + HF system, the effect of varying the mass of the atom was observed.

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